UCSF

ZINC34925920

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.83 8.93 -12.26 1 4 0 51 310.328 5
Mid Mid (pH 6-8) 4.83 9.36 -35.36 2 4 1 52 311.336 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )